2-methyl-1-(4-methylphenyl)iodanuidyl-4-[4-(4-methylphenyl)iodanuidylphenoxy]benzene

C27H24I2O-2 — CID 59061697

IUPAC2-methyl-1-(4-methylphenyl)iodanuidyl-4-[4-(4-methylphenyl)iodanuidylphenoxy]benzene
SMILESCc1ccc([I-]c2ccc(Oc3ccc([I-]c4ccc(C)cc4)c(C)c3)cc2)cc1
InChIInChI=1S/C27H24I2O/c1-19-4-8-22(9-5-19)28-23-12-14-25(15-13-23)30-26-16-17-27(21(3)18-26)29-24-10-6-20(2)7-11-24/h4-18H,1-3H3/q-2
InChIKeyHEBKJORGQPOSMA-UHFFFAOYSA-N
MW618.30 g/mol
LogP0.66
Rot. Bonds6

About 2-methyl-1-(4-methylphenyl)iodanuidyl-4-[4-(4-methylphenyl)iodanuidylphenoxy]benzene

2-methyl-1-(4-methylphenyl)iodanuidyl-4-[4-(4-methylphenyl)iodanuidylphenoxy]benzene (PubChem CID 59061697) has the molecular formula C27H24I2O-2 and a molecular weight of 618.30 g/mol. Its IUPAC name is 2-methyl-1-(4-methylphenyl)iodanuidyl-4-[4-(4-methylphenyl)iodanuidylphenoxy]benzene.

Molecular Properties

Compound Name2-methyl-1-(4-methylphenyl)iodanuidyl-4-[4-(4-methylphenyl)iodanuidylphenoxy]benzene
PubChem CID59061697
Molecular FormulaC27H24I2O-2
Molecular Weight618.30 g/mol
Exact Mass617.99
IUPAC Name2-methyl-1-(4-methylphenyl)iodanuidyl-4-[4-(4-methylphenyl)iodanuidylphenoxy]benzene
SMILESCc1ccc([I-]c2ccc(Oc3ccc([I-]c4ccc(C)cc4)c(C)c3)cc2)cc1
InChIInChI=1S/C27H24I2O/c1-19-4-8-22(9-5-19)28-23-12-14-25(15-13-23)30-26-16-17-27(21(3)18-26)29-24-10-6-20(2)7-11-24/h4-18H,1-3H3/q-2
InChIKeyHEBKJORGQPOSMA-UHFFFAOYSA-N
XLogP0.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500618.30
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1,2-dimethyl-4-(4-methylphenoxy)benzene
CID 15324949
1-methyl-4-(4-methylphenoxy)benzene;dihydrofluoride
CID 174481204
1,4-dimethyl-2-[2-methyl-5-(4-methylphenoxy)phenyl]benzene
CID 134493004
[2-methyl-4-(4-methylphenoxy)phenyl]methanol
CID 62134213
1,4-bis(4-phenyliodanuidylphenoxy)benzene
CID 59061639
1-methyl-4-(4-methylphenoxy)benzene;1,3-xylene;1,4-xylene
CID 159470463
1,3-dimethoxy-5-(4-methylphenoxy)benzene
CID 71396747
[4-[3-[4-(4-methylbenzoyl)phenoxy]phenoxy]phenyl]-(4-methylphenyl)methanone
CID 90192164
[4-(4-methylphenoxy)phenyl]azanium
CID 142074955
4-[3-[4-[3-(4-methylphenoxy)phenoxy]phenoxy]phenoxy]aniline
CID 174332614
4-[3-[4-(4-methylphenoxy)phenoxy]phenoxy]aniline
CID 174332616
[4-(4-methylphenoxy)phenyl]-(4-methylphenyl)methanone
CID 22389585

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-methylphenyl)iodanuidyl-4-[4-(4-methylphenyl)iodanuidylphenoxy]benzene?
The IUPAC name of 2-methyl-1-(4-methylphenyl)iodanuidyl-4-[4-(4-methylphenyl)iodanuidylphenoxy]benzene (CID 59061697) is 2-methyl-1-(4-methylphenyl)iodanuidyl-4-[4-(4-methylphenyl)iodanuidylphenoxy]benzene.
What is the SMILES notation for 2-methyl-1-(4-methylphenyl)iodanuidyl-4-[4-(4-methylphenyl)iodanuidylphenoxy]benzene?
The canonical SMILES for 2-methyl-1-(4-methylphenyl)iodanuidyl-4-[4-(4-methylphenyl)iodanuidylphenoxy]benzene is Cc1ccc([I-]c2ccc(Oc3ccc([I-]c4ccc(C)cc4)c(C)c3)cc2)cc1.
What is the InChIKey of 2-methyl-1-(4-methylphenyl)iodanuidyl-4-[4-(4-methylphenyl)iodanuidylphenoxy]benzene?
The InChIKey is HEBKJORGQPOSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24I2O/c1-19-4-8-22(9-5-19)28-23-12-14-25(15-13-23)30-26-16-17-27(21(3)18-26)29-24-10-6-20(2)7-11-24/h4-18H,1-3H3/q-2.
What are the key properties of 2-methyl-1-(4-methylphenyl)iodanuidyl-4-[4-(4-methylphenyl)iodanuidylphenoxy]benzene?
2-methyl-1-(4-methylphenyl)iodanuidyl-4-[4-(4-methylphenyl)iodanuidylphenoxy]benzene has a molecular weight of 618.30 g/mol, XLogP of 0.66, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-methylphenyl)iodanuidyl-4-[4-(4-methylphenyl)iodanuidylphenoxy]benzene is sourced from PubChem (CID 59061697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).